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Aromatic B3 ring stabilized group 2 Dimer, B3-Y-Y-B3 (Y = Be, Mg, Ca)
- Borah, R.R.;
- Kalita, A.J.;
- Yashmin, F.;
- Sarmah, K.;
- Deka, R.P.;
- ... DIMPUL, KONWAR;
- 외 1명
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7초록
Quantum chemical calculations have been performed on B3 ring stabilized Y-Y interaction (Y = Be, Mg, Ca) to understand the possibility of binuclear sandwich type complex formation. Calculations indicate single reference character of the studied systems. The complexes have been found to be stable towards dissociation into different fragments. Thermodynamic consideration also indicates the favourability of their formation. © 2022 Elsevier Ltd
키워드
Aromaticity; DFT; sandwich; ELECTRON-SPIN-RESONANCE; EXCITED-STATES; CHEMICAL-BONDS; AB-INITIO; BORON; BERYLLIUM; CLUSTERS; THERMOCHEMISTRY; LOCALIZATION; DENSITY
- 제목
- Aromatic B3 ring stabilized group 2 Dimer, B3-Y-Y-B3 (Y = Be, Mg, Ca)
- 저자
- Borah, R.R.; Kalita, A.J.; Yashmin, F.; Sarmah, K.; Deka, R.P.; DIMPUL, KONWAR; Guha, A.K.
- 발행일
- 2022-03
- 유형
- Article
- 저널명
- Polyhedron
- 권
- 215